UCSF

ZINC31921167

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 No

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Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 7.68 -6.21 0 2 0 17 229.11 1
Lo Low (pH 4.5-6) 3.33 8.1 -29.74 1 2 1 19 230.118 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )